| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:39 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H32O6 |
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| Molecular Mass | 392.2199 |
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| SMILES | CCC1C(C)C(C)C(Oc2ccc(CC3CCC(=O)O3)cc2OC)C(O)C1O |
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| InChI Key | KGUIJGHTVZORAY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl etherscarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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